SCHEMBL7735550

SCHEMBL7735550

CCC[C@@H](N)c1nc(C(=O)Nc2cnc3ccccc3c2)co1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDR P35968 6/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MITF O75030 1/20 0.48
XBP1 P17861 1/20 0.48
PAX8 Q06710 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7732103 0.88 RAB9A (0.53) TRPV1RAB9ANPC1MAPTNFKB1
SCHEMBL7732373 0.86 TRPV1 (0.50) TRPV1RAB9ANPC1MAPTNFKB1
SCHEMBL7733996 0.85 NPC1 (0.50) TRPV1RAB9ANPC1MAPTNFKB1
SCHEMBL7734013 0.85 NPC1 (0.45) TRPV1RAB9ANPC1MAPTNFKB1
SCHEMBL7723009 0.84 TRPV1 (0.38) TRPV1RAB9ANPC1MAPTNFKB1
Trifluoroacetic Acid SCHEMBL7735917 0.84 RAB9A (0.48) TRPV1RAB9ANPC1MAPTNFKB1
SCHEMBL7731078 0.80 TRPV1 (0.53) TRPV1RAB9ANPC1KDM4ETSHR
SCHEMBL7731720 0.78 TRPV1 (0.41) TRPV1RAB9ANPC1MAPTNFKB1
SCHEMBL7850751 0.76 TRPV1 (0.44) TRPV1RAB9ANPC1MAPTNFKB1
SCHEMBL7735983 0.74 RAB9A (0.44) TRPV1RAB9ANPC1MAPTNFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed